General Information of the Compound
| Compound ID |
CP0541915
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-2-methyl-2-(3-methylphenyl)propanamide
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| Structure |
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| Formula |
C21H29NO2
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| Molecular Weight |
327.468
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| Canonical SMILES |
Cc1cccc(c1)C(C)(C)C(=O)NC1C2CC3CC1CC(O)(C3)C2
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| InChI |
InChI=1S/C21H29NO2/c1-13-5-4-6-17(7-13)20(2,3)19(23)22-18-15-8-14-9-16(18)12-21(24,10-14)11-15/h4-7,14-16,18,24H,8-12H2,1-3H3,(H,22,23)
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| InChIKey |
KALCNQQOYMSHHC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound